7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine

C9H12N2 — CID 145435202

IUPAC7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine
SMILESCCC1C=C2N=CC=CN2C1
InChIInChI=1S/C9H12N2/c1-2-8-6-9-10-4-3-5-11(9)7-8/h3-6,8H,2,7H2,1H3
InChIKeyJOSYFMSRPZPNLP-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.77
Rot. Bonds1

About 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine

7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine (PubChem CID 145435202) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine
PubChem CID145435202
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine
SMILESCCC1C=C2N=CC=CN2C1
InChIInChI=1S/C9H12N2/c1-2-8-6-9-10-4-3-5-11(9)7-8/h3-6,8H,2,7H2,1H3
InChIKeyJOSYFMSRPZPNLP-UHFFFAOYSA-N
XLogP1.77
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine?
The IUPAC name of 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine (CID 145435202) is 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine is CCC1C=C2N=CC=CN2C1.
What is the InChIKey of 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine?
The InChIKey is JOSYFMSRPZPNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-8-6-9-10-4-3-5-11(9)7-8/h3-6,8H,2,7H2,1H3.
What are the key properties of 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine?
7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6,7-dihydropyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 145435202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).